1,1,1,5,5,5-Hexafluoro-4-methyl-3-penten-2-one

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H4F6O
Molecular Weight	206.0858
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1,1,1,5,5,5-Hexafluoro-4-methyl-3-penten-2-one

Structure Search

SMILES

C\C(C(F)(F)F)=C/C(=O)C(F)(F)F

InChI

InChIKey=WRMWSVCCMDLQCJ-NSCUHMNNSA-N

InChI=1S/C6H4F6O/c1-3(5(7,8)9)2-4(13)6(10,11)12/h2H,1H3/b3-2+

HIDE SMILES / InChI

Molecular Formula	C6H4F6O
Molecular Weight	206.0858
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:06:28 GMT 2025` Edited by `admin` on `Tue Apr 01 19:06:28 GMT 2025`
Record UNII	2HQH877HUN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Penten-2-one, 1,1,1,5,5,5-hexafluoro-4-methyl-

Preferred Name

English

1,1,1,5,5,5-Hexafluoro-4-methyl-3-penten-2-one

Systematic Name

English

Code System Code Type Description

CAS

372-25-8

Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025

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PUBCHEM

6436077

Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025

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ECHA (EC/EINECS)

206-749-1

Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025

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FDA UNII

2HQH877HUN

Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025

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EPA CompTox

DTXSID0059904

Created by admin on Tue Apr 01 19:06:28 GMT 2025 , Edited by admin on Tue Apr 01 19:06:28 GMT 2025

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